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Dimethylamine → 5-{5-[3-(3-Dimethylamino-propoxy)-phenylamino]-2-methylphenyl}-2-methylsulfanyl-4-pyridin-3-yl-thiophene-3-carbonitrile

HRID 2334969
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HRID 2334969 반응식
[C:1](#[N:2])[c:3]1[c:4](-[c:33]2[cH:34][n:35][cH:36][cH:37][cH:38]2)[c:5](-[c:10]2[cH:11][c:12]([NH:17][c:18]3[cH:19][c:20]([O:21][CH2:22][CH2:23][CH2:24][O:25][S:26]([CH3:27])(=[O:28])=[O:29])[cH:30][cH:31][cH:32]3)[cH:13][cH:14][c:15]2[CH3:16])[s:6][c:7]1[S:8][CH3:9].[CH3:39][NH:40][CH3:41].[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[Cl:50][CH2:51][Cl:52].[OH2:49]>>[C:1](#[N:2])[c:3]1[c:4](-[c:33]2[cH:34][n:35][cH:36][cH:37][cH:38]2)[c:5](-[c:10]2[cH:11][c:12]([NH:17][c:18]3[cH:19][c:20]([O:21][CH2:22][CH2:23][CH2:24][N:40]([CH3:39])[CH3:41])[cH:30][cH:31][cH:32]3)[cH:13][cH:14][c:15]2[CH3:16])[s:6][c:7]1[S:8][CH3:9]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 674DimethylamineHCID 962WaterHCID 6344DichloromethaneHCID 8471TriethylamineHCID 86588175Methanesulfonic Acid 3-{3-[3-(4-cyano-5-methylsulfanyl-3-pyridin-3-yl-thiophene-2-yl)-4-methyl-phenylamino]-phenoxyl}-propyl Ester

생성물 1

HCID 22019033
5-{5-[3-(3-Dimethylamino-propoxy)-phenylamino]-2-methylphenyl}-2-methylsulfanyl-4-pyridin-3-yl-thiophene-3-carbonitrile

출처 및 근거

ORD 기록
ord-4ee7f75b7d3e4af7adaf942952141bdd
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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